4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile

C15H20N2O — CID 62861851

IUPAC4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
SMILESCN(CC1CCC1)CC(O)c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O/c1-17(10-13-3-2-4-13)11-15(18)14-7-5-12(9-16)6-8-14/h5-8,13,15,18H,2-4,10-11H2,1H3
InChIKeyGJEXNQMFWMBJEL-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.32
Rot. Bonds5

About 4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile

4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile (PubChem CID 62861851) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
PubChem CID62861851
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
SMILESCN(CC1CCC1)CC(O)c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O/c1-17(10-13-3-2-4-13)11-15(18)14-7-5-12(9-16)6-8-14/h5-8,13,15,18H,2-4,10-11H2,1H3
InChIKeyGJEXNQMFWMBJEL-UHFFFAOYSA-N
XLogP2.32
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 54884021
4-[1-hydroxy-2-[methyl(oxan-3-ylmethyl)amino]ethyl]benzonitrile
CID 63712020
2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 55125907
4-[1-hydroxy-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]benzonitrile
CID 79314734
1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol
CID 62860027
2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949329
2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol
CID 111114250
2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
CID 63631981
4-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]benzonitrile
CID 60961038
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
CID 63471920
4-[1-hydroxy-2-[methyl(2-methylbutyl)amino]ethyl]benzonitrile
CID 43295785

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile?
The IUPAC name of 4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile (CID 62861851) is 4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile.
What is the SMILES notation for 4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile?
The canonical SMILES for 4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile is CN(CC1CCC1)CC(O)c1ccc(C#N)cc1.
What is the InChIKey of 4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile?
The InChIKey is GJEXNQMFWMBJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17(10-13-3-2-4-13)11-15(18)14-7-5-12(9-16)6-8-14/h5-8,13,15,18H,2-4,10-11H2,1H3.
What are the key properties of 4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile?
4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile is sourced from PubChem (CID 62861851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).